(2,6-ditert-butyl-4-methoxy-phenyl) (E)-hept-2-enoate

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) (E)-hept-2-enoate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) (E)-hept-2-enoate CAS Name: (E)-2-heptenoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) (E)-hept-2-enoate Traditional Name: (E)-hept-2-enoic acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C22H34O3 MolecularWeight: 346.50356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)C(C)(C)C

Isomeric SMILES

CCCC/C=C/C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)C(C)(C)C

InChI

InChI=1S/C22H34O3/c1-9-10-11-12-13-19(23)25-20-17(21(2,3)4)14-16(24-8)15-18(20)22(5,6)7/h12-15H,9-11H2,1-8H3/b13-12+